1,2,4-Thiadiazole-3-acetyl chloride, 5-[(dichlorophosphinyl)amino]-I+/--(ethoxyimino)-, (I+/-Z)-

Base Information

• Chemical Name: 1,2,4-Thiadiazole-3-acetyl chloride, 5-[(dichlorophosphinyl)amino]-I+/--(ethoxyimino)-, (I+/-Z)-
• CAS No.: 90211-01-1
• Molecular Formula: C6H6Cl3N4O3PS
• Molecular Weight: 351.53
• DSSTox Substance ID: DTXSID601122188
• Nikkaji Number: J2.596.966I
• Mol file: 90211-01-1.mol

Synonyms:SCHEMBL3834005;QZZOGRZCLZKNBM-QDEBKDIKSA-N;DTXSID601122188;NS00007434;1,2,4-Thiadiazole-3-acetyl chloride, 5-[(dichlorophosphinyl)amino]-I+/--(ethoxyimino)-, (I+/-Z)-

Chemical Property of 1,2,4-Thiadiazole-3-acetyl chloride, 5-[(dichlorophosphinyl)amino]-I+/--(ethoxyimino)-, (I+/-Z)-

Chemical Property:

• Boiling Point: 457.1±28.0 °C(Predicted)
• PKA: -6.72±0.50(Predicted)
• PSA: 131.59000
• Density: 1.92±0.1 g/cm3(Predicted)
• LogP: 3.11470
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 349.896381
• Heavy Atom Count: 18
• Complexity: 392

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Z)-2-(5-((Dichlorophosphoryl)amino)-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCON=C(C1=NSC(=N1)NP(=O)(Cl)Cl)C(=O)Cl
• Isomeric SMILES: CCO/N=C(\C1=NSC(=N1)NP(=O)(Cl)Cl)/C(=O)Cl

Technology Process of 1,2,4-Thiadiazole-3-acetyl chloride, 5-[(dichlorophosphinyl)amino]-I+/--(ethoxyimino)-, (I+/-Z)-

There total 9 articles about 1,2,4-Thiadiazole-3-acetyl chloride, 5-[(dichlorophosphinyl)amino]-I+/--(ethoxyimino)-, (I+/-Z)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.1%

2-Ethoxyimino-2-(5-amino-1,2,4-thiadiazole-3-yl)-acetic acid (75028-24-9) → 2-[[5-(dichlorophosphinyl)amino]-1,2,4-thiadiazole-3-yl]-2(Z)-ethoxyiminoacetyl chloride (90211-01-1)

Guidance literature:

2-Ethoxyimino-2-(5-amino-1,2,4-thiadiazole-3-yl)-acetic acid; With phosphorus pentachloride; In tert-butyl methyl ether; Petroleum ether; at 0 - 5 ℃; for 6h;

With water; In tert-butyl methyl ether; Petroleum ether; at 0 - 5 ℃; for 1h; Temperature;

Reference yield:

2-(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-2-ethoxyiminoacetic acid → 2-[[5-(dichlorophosphinyl)amino]-1,2,4-thiadiazole-3-yl]-2(Z)-ethoxyiminoacetyl chloride (90211-01-1)

Guidance literature:

With phosphorus pentachloride; In hexane; di-isopropyl ether; ethyl acetate;

Reference yield:

C6H5Cl4N4O2PS → 2-[[5-(dichlorophosphinyl)amino]-1,2,4-thiadiazole-3-yl]-2(Z)-ethoxyiminoacetyl chloride (90211-01-1)

Guidance literature:

With acetic acid; In ethyl acetate; at 5 ℃; for 1h;

DOI:10.1016/S0968-0896(03)00126-3

upstream raw materials:

2-Ethoxyimino-2-(5-amino-1,2,4-thiadiazole-3-yl)-acetic acid

2-cyano-2-ethoxyiminoacetamide

ethoxymethylenemalononitrile

Downstream raw materials:

ceftaroline